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BDBM205459 Anthranilyl-AMSN (2)

SMILES: Nc1ccccc1C(=O)[N-]S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=WIERLOVYFBXIJD-CNEMSGBDSA-M

Data: 1 KI

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 205459   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Anthranilyl-CoA synthetase PqsA (PqsA)


(Pseudomonas aeruginosa (Gram- Bacteria))
BDBM205459
PNG
(Anthranilyl-AMSN (2))
Show SMILES Nc1ccccc1C(=O)[N-]S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H20N8O6S/c18-9-4-2-1-3-8(9)16(28)24-32(29,30)23-5-10-12(26)13(27)17(31-10)25-7-22-11-14(19)20-6-21-15(11)25/h1-4,6-7,10,12-13,17,23,26-27H,5H2,(H5,18,19,20,21,24,28)/p-1/t10-,12-,13-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
170n/an/an/an/an/an/a8.0n/a



East Carolina University



Assay Description
Reactions were performed at 37 C in a 0.5 mL volume in a Varian Cary 100 UV-visible spectrophotometer with Cary WinUV software. Reaction mixtures co...


ACS Chem Biol 11: 3061-3067 (2016)


Article DOI: 10.1021/acschembio.6b00575
BindingDB Entry DOI: 10.7270/Q2M61J25
More data for this
Ligand-Target Pair